4-[(3-bromanyl-4-methyl-phenyl)amino]-3-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-bromanyl-4-methyl-phenyl)amino]-3-[(3-methylphenyl)methyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-bromo-4-methyl-anilino)-3-(m-tolylmethyl)-4-oxo-butanoic acid CAS Name: 4-(3-bromo-4-methylanilino)-3-[(3-methylphenyl)methyl]-4-oxobutanoic acid IUPAC Name: 4-(3-bromo-4-methylanilino)-3-[(3-methylphenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(3-bromo-4-methyl-anilino)-4-keto-3-(3-methylbenzyl)butyric acid Formula: C19H20BrNO3 MolecularWeight: 390.271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(CC(=O)O)C(=O)NC2=CC(=C(C=C2)C)Br

Isomeric SMILES

CC1=CC(=CC=C1)CC(CC(=O)O)C(=O)NC2=CC(=C(C=C2)C)Br

InChI

InChI=1S/C19H20BrNO3/c1-12-4-3-5-14(8-12)9-15(10-18(22)23)19(24)21-16-7-6-13(2)17(20)11-16/h3-8,11,15H,9-10H2,1-2H3,(H,21,24)(H,22,23)